SCHEMBL8733730

SCHEMBL8733730

Cn1c(CC(=O)O)ccc1C(=O)c1ccc(-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.60
CXCL8 P10145 1/20 0.60
AKR1B1 P15121 1/20 0.60
PTGS1 P23219 1/20 0.60
GLO1 Q04760 1/20 0.60
SRD5A2 P31213 1/20 0.55
ABCB11 O95342 1/20 0.49
HPGD P15428 1/20 0.45
MARS1 P56192 9/20 0.42
GCG P01275 1/20 0.40
GCGR P47871 1/20 0.40
MCHR1 Q99705 1/20 0.39
SHMT1 P34896 1/20 0.38
SHMT2 P34897 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
HSD11B1 P28845 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8733799 0.86 PTGS2 (0.70) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL2239972 0.85 PTGS2 (0.76) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8732399 0.83 PTGS2 (0.65) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8728786 0.81 PTGS2 (0.60) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7680829 0.80 SMN1; SMN2 (0.53) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8458232 0.79 PTGS1 (0.74) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL7685392 0.78 PTGS2 (0.60) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8729441 0.77 PTGS2 (0.91) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8729555 0.77 PTGS2 (0.72) PTGS2CXCL8AKR1B1PTGS1GLO1
SCHEMBL8732168 0.77 PTGS2 (0.67) PTGS2CXCL8AKR1B1PTGS1GLO1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783488-A4 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO (JP) 1998-01-07 EP claimed
EP-0783488-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1997-07-16 EP claimed
WO-1996010013-A1 FIVE MEMBERED HETEROCYCLIC COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 1996-04-04 WO claimed